SCHEMBL7780312

SCHEMBL7780312

COc1ccc(C(N[C@H](C)c2ccc(C)cc2)c2cccc(N)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
ACHE P22303 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CNR1 P21554 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
CASR P41180 1/20 0.39
KRAS P01116 1/20 0.38
SOS1 Q07889 1/20 0.38
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7784989 0.95 ACP3 (0.45) ACP3ALDH1A1CYP3A4ACHECA1
SCHEMBL7780316 0.92 ACP3 (0.49) ACP3ALDH1A1CYP3A4ACHECA1
SCHEMBL7780321 0.89 KMT2A (0.48) ACP3ALDH1A1CYP3A4ACHECA1
SCHEMBL7780421 0.88 CASR (0.51) ACP3ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL7789123 0.88 MEN1 (0.48) ACP3ALDH1A1CYP3A4ACHECA1
SCHEMBL7787542 0.88 CASR (0.40) ACP3ALDH1A1CYP3A4ACHECA1
SCHEMBL7785107 0.85 ALDH1A1 (0.50) ACP3ALDH1A1CYP3A4MAPTKMT2A
SCHEMBL7784919 0.85 ACP3 (0.40) ACP3ALDH1A1CYP3A4MAPTMEN1
SCHEMBL7785129 0.85 ALDH1A1 (0.45) ACP3ALDH1A1CYP3A4ACHECA1
SCHEMBL7785574 0.85 ALDH1A1 (0.45) ACP3ALDH1A1CYP3A4ACHECA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed